C60 Filling Rate in Carbon Peapods: A Nonresonant Raman Spectra Analysis

Fatima Fergani,Hassane Chadli,Abdelali Rahmani,Abdelhai Rahmani,Patrick Hermet,Brahim Fakrach,Sidi Abdelmajid Ait Abdelkader

doi:10.1155/2017/9248153

Abstract

We calculated the nonresonant Raman spectra of C60 peapods to determine the concentration of C60 fullerenes inside single-walled carbon nanotubes. We focus on peapods with large diameters for which C60 molecules can adopt a double helix configuration or a two-molecule layer configuration. Our calculations are performed within the framework of the bond-polarizability model combined with the spectral moment’s method. The changes in the Raman spectra as a function of C60 filling rate and the configuration of C60 molecules inside the nanotubes are identified and discussed. Our calculations support the experimental method proposed by Kuzmany to evaluate the concentration of C60 molecules inside nanotubes.

Highlights

Single walled carbon nanotubes (SWCNT) can encapsulate small and large molecules such as fullerenes [1,2,3,4,5]
A C60 peapod consists of a SWCNT in which C60 fullerene molecules are inserted
Carbon peapods have been proposed as possible candidates for novel nanometer scale devices and many efforts are devoted to the synthesis of high-quality 1D fullerene crystals inside SWCNTs [1, 4]

Summary

Introduction

Single walled carbon nanotubes (SWCNT) can encapsulate small and large molecules such as fullerenes [1,2,3,4,5]. Carbon peapods have been proposed as possible candidates for novel nanometer scale devices and many efforts are devoted to the synthesis of high-quality 1D fullerene crystals inside SWCNTs [1, 4]. Due to their original one-dimensional nanosized structure and their tunable electronic properties, peapods have several potential applications as high temperature superconductors [6], memory elements [7], and nanometer-sized containers for chemical reactions [3]. C60 encapsulation was successfully used as a starting point for in-the-tube chemistry [18] and because of the experimental stimuli, the enclosed

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